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(3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate

View entire compound with spectra: 1 MS (GC)

(3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
SpectraBase Compound ID FQXdwMxYIy7
InChI InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3/t21-,23?,24?,25?,26+,27?,29-,30+,31-,32-/m1/s1
InChIKey DYTVUYVLJDSMFA-GWSJISRNSA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG2kcUAi89q
Name (3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
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Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3/t21-,23?,24?,25?,26+,27?,29-,30+,31-,32-/m1/s1
InChIKey DYTVUYVLJDSMFA-GWSJISRNSA-N
Molecular Weight 468.766 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@](CC2)(CC=C([C@]1(C)[H])C)C)C)C)C)(C)C)(OC(C)=O)[H]
SPLASH splash10-05n3-3910000000-70ae3e9ad444ef02c9ad
Source of Spectrum Marlene Lavrieux, et al. Organic Geochemistry, V. 42, 2011, P.1315-1323
Wiley ID 1817490